6,12-dibromo-1,4-dioxaspiro[4.7]dodecane

• ChemBase ID: 263543
• Molecular Formular: C10H16Br2O2
• Molecular Mass: 328.04084
• Monoisotopic Mass: 325.95170375
• SMILES: C12(OCCO1)C(Br)CCCCCC2Br
• Canonical SMILES: BrC1CCCCCC(C21OCCO2)Br
• InChI: InChI=1S/C10H16Br2O2/c11-8-4-2-1-3-5-9(12)10(8)13-6-7-14-10/h8-9H,1-7H2
• InChIKey: OQCIVOUQHXUSEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,12-dibromo-1,4-dioxaspiro[4.7]dodecane
• IUPAC Traditional name: 6,12-dibromo-1,4-dioxaspiro[4.7]dodecane
• Synonyms: 6,12-dibromo-1,4-dioxaspiro[4.7]dodecane

Database IDs

• MDL Number: MFCD00795430
• PubChem SID: 164319453
• PubChem CID: 287426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.025242
• LogD (pH = 7.4): 4.025242
• Log P: 4.025242
• Molar Refractivity: 62.2702 cm^3
• Polarizability: 24.8206 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.657

Product Information

• Purity: 95%